4-[2-(2-chloro-4-fluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-3-yl-1,3-thiazole

C23H15ClFN3S — CID 51036057

IUPAC4-[2-(2-chloro-4-fluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-3-yl-1,3-thiazole
SMILESCc1sc(-c2cccnc2)nc1-c1ccc2[nH]c(-c3ccc(F)cc3Cl)cc2c1
InChIInChI=1S/C23H15ClFN3S/c1-13-22(28-23(29-13)15-3-2-8-26-12-15)14-4-7-20-16(9-14)10-21(27-20)18-6-5-17(25)11-19(18)24/h2-12,27H,1H3
InChIKeyKPPGZQHRCYDIFH-UHFFFAOYSA-N
MW419.91 g/mol
LogP7.12
Rot. Bonds3

About 4-[2-(2-chloro-4-fluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-3-yl-1,3-thiazole

4-[2-(2-chloro-4-fluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-3-yl-1,3-thiazole (PubChem CID 51036057) has the molecular formula C23H15ClFN3S and a molecular weight of 419.91 g/mol. Its IUPAC name is 4-[2-(2-chloro-4-fluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-(2-chloro-4-fluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-3-yl-1,3-thiazole
PubChem CID51036057
Molecular FormulaC23H15ClFN3S
Molecular Weight419.91 g/mol
Exact Mass419.07
IUPAC Name4-[2-(2-chloro-4-fluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-3-yl-1,3-thiazole
SMILESCc1sc(-c2cccnc2)nc1-c1ccc2[nH]c(-c3ccc(F)cc3Cl)cc2c1
InChIInChI=1S/C23H15ClFN3S/c1-13-22(28-23(29-13)15-3-2-8-26-12-15)14-4-7-20-16(9-14)10-21(27-20)18-6-5-17(25)11-19(18)24/h2-12,27H,1H3
InChIKeyKPPGZQHRCYDIFH-UHFFFAOYSA-N
XLogP7.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.91
LogP ≤ 57.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-(2-chloro-4-fluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-3-yl-1,3-thiazole with MolForge

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Related Compounds

1H-Indole, 3-(2-pyridin-3-yl-thiazol-4-yl)-
CID 711817
3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1H-indole
CID 711829
{2-[5-(5-Chloro-thiophen-2-yl)-1H-indol-3-yl]-ethyl}-dimethyl-amine
CID 9995233
N-(3-chloro-4-fluorophenyl)-6-(5-thiazolyl)-4-quinolinamine
CID 118736888
4-(2-methyl-1H-indol-3-yl)-2-pyridin-3-yl-1,3-thiazole
CID 711832
2-(3-indolylidene)-4-(4-methylphenyl)-3H-thiazole
CID 735717
5-(5-Chloro-thiophen-2-yl)-3-(2-pyrrolidin-1-yl-ethyl)-1H-indole
CID 44383728
4-methyl-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1,3-thiazole
CID 44523476
1H-Indole, 2-methyl-3-(2-pyridin-4-yl)thiazol-4-yl-
CID 711819
US10660877, Example 688
CID 134329659
3-[(5-Chlorothiophen-2-YL)(phenyl)methyl]-5-methyl-1H-indole
CID 16009246
4-chloro-N-[(2-methyl-1H-indol-3-yl)-(1,3-thiazol-2-yl)methyl]aniline
CID 76317516

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chloro-4-fluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 4-[2-(2-chloro-4-fluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-3-yl-1,3-thiazole (CID 51036057) is 4-[2-(2-chloro-4-fluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 4-[2-(2-chloro-4-fluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 4-[2-(2-chloro-4-fluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-3-yl-1,3-thiazole is Cc1sc(-c2cccnc2)nc1-c1ccc2[nH]c(-c3ccc(F)cc3Cl)cc2c1.
What is the InChIKey of 4-[2-(2-chloro-4-fluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is KPPGZQHRCYDIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClFN3S/c1-13-22(28-23(29-13)15-3-2-8-26-12-15)14-4-7-20-16(9-14)10-21(27-20)18-6-5-17(25)11-19(18)24/h2-12,27H,1H3.
What are the key properties of 4-[2-(2-chloro-4-fluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-3-yl-1,3-thiazole?
4-[2-(2-chloro-4-fluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-3-yl-1,3-thiazole has a molecular weight of 419.91 g/mol, XLogP of 7.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chloro-4-fluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 51036057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).